1-(2,6-difluorophenoxy)-3-methylbutan-2-one

C11H12F2O2 — CID 81268709

IUPAC1-(2,6-difluorophenoxy)-3-methylbutan-2-one
SMILESCC(C)C(=O)COc1c(F)cccc1F
InChIInChI=1S/C11H12F2O2/c1-7(2)10(14)6-15-11-8(12)4-3-5-9(11)13/h3-5,7H,6H2,1-2H3
InChIKeyFLJHTRIDELARCU-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.57
Rot. Bonds4

About 1-(2,6-difluorophenoxy)-3-methylbutan-2-one

1-(2,6-difluorophenoxy)-3-methylbutan-2-one (PubChem CID 81268709) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-(2,6-difluorophenoxy)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenoxy)-3-methylbutan-2-one
PubChem CID81268709
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name1-(2,6-difluorophenoxy)-3-methylbutan-2-one
SMILESCC(C)C(=O)COc1c(F)cccc1F
InChIInChI=1S/C11H12F2O2/c1-7(2)10(14)6-15-11-8(12)4-3-5-9(11)13/h3-5,7H,6H2,1-2H3
InChIKeyFLJHTRIDELARCU-UHFFFAOYSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide
CID 79395775
3-methyl-1-naphthalen-1-yloxybutan-2-one
CID 79395677
3-methyl-1-(2,3,6-trimethylphenoxy)butan-2-one
CID 79395306
propan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate
CID 112615221
4-(2,6-difluorophenoxy)butan-2-ol
CID 81269023
2-(2,6-difluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 78908099
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 112613129
2-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 112610813
2-(2,6-difluorophenoxy)-1-(2-methoxyphenyl)ethanone
CID 78908110
2-(2,6-difluorophenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 113223306
2-[2-(aminomethyl)-6-fluorophenoxy]acetamide
CID 112608115
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115958626

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenoxy)-3-methylbutan-2-one?
The IUPAC name of 1-(2,6-difluorophenoxy)-3-methylbutan-2-one (CID 81268709) is 1-(2,6-difluorophenoxy)-3-methylbutan-2-one.
What is the SMILES notation for 1-(2,6-difluorophenoxy)-3-methylbutan-2-one?
The canonical SMILES for 1-(2,6-difluorophenoxy)-3-methylbutan-2-one is CC(C)C(=O)COc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenoxy)-3-methylbutan-2-one?
The InChIKey is FLJHTRIDELARCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-7(2)10(14)6-15-11-8(12)4-3-5-9(11)13/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenoxy)-3-methylbutan-2-one?
1-(2,6-difluorophenoxy)-3-methylbutan-2-one has a molecular weight of 214.21 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenoxy)-3-methylbutan-2-one is sourced from PubChem (CID 81268709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).